SCHEMBL5657940

SCHEMBL5657940

Nc1ccc(SCc2nccn2CCc2ccccc2C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
FOLH1 Q04609 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5657944 0.77 NPC1 (0.43) ALDH1A1GAACYP2C9CYP2C19MEN1
SCHEMBL5657417 0.77 ESR1 (0.38) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL5653814 0.74 TLR8 (0.39) ALDH1A1GAACYP2C9HPGDCYP2C19
SCHEMBL5657194 0.73 ADORA2B (0.36) ALDH1A1GAAMEN1KMT2A
SCHEMBL5657420 0.72 CCNE1 (0.38) ALDH1A1GAACYP2C9CYP2C19MEN1
SCHEMBL5657825 0.71 ALDH1A1 (0.38) ALDH1A1GAAHPGDCYP2C19MEN1
SCHEMBL3460377 0.70 TNF (0.48)
SCHEMBL5657607 0.68 KMT2A (0.41) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL5656323 0.67 ALDH1A1 (0.41) ALDH1A1GAACYP2C9HPGDCYP2C19
SCHEMBL29770828 0.66 ALDH1A1 (0.61) ALDH1A1GAAPPARGPPARAFOLH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 ALDH1A1 519/4885GAA 2987/4885PPARG 2285/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.